Obserwuj
Rick Muller
Rick Muller
Zweryfikowany adres z sandia.gov - Strona główna
Tytuł
Cytowane przez
Cytowane przez
Rok
SymPy: symbolic computing in Python
A Meurer, CP Smith, M Paprocki, O Čertík, SB Kirpichev, M Rocklin, ...
PeerJ Computer Science 3, e103, 2017
15042017
The mechanism for unimolecular decomposition of RDX (1, 3, 5-trinitro-1, 3, 5-triazine), an ab initio study
D Chakraborty, RP Muller, S Dasgupta, WA Goddard
The Journal of Physical Chemistry A 104 (11), 2261-2272, 2000
2952000
An extended hybrid density functional (X3LYP) with improved descriptions of nonbond interactions and thermodynamic properties of molecular systems
X Xu, Q Zhang, RP Muller, WA Goddard
The Journal of chemical physics 122 (1), 2005
2692005
Meccano on the nanoscale—A blueprint for making some of the world's tiniest machines
AH Flood, RJA Ramirez, WQ Deng, RP Muller, WA Goddard Iii, ...
Australian journal of chemistry 57 (4), 301-322, 2004
2532004
Mechanism of homogeneous Ir (III) catalyzed regioselective arylation of olefins
J Oxgaard, RP Muller, WA Goddard, RA Periana
Journal of the American Chemical Society 126 (1), 352-363, 2004
2162004
Hybrid ab initio quantum mechanics/molecular mechanics calculations of free energy surfaces for enzymatic reactions: the nucleophilic attack in subtilisin
J Bentzien, RP Muller, J Florián, A Warshel
The Journal of Physical Chemistry B 102 (12), 2293-2301, 1998
2071998
Ab initio calculations of free energy barriers for chemical reactions in solution
RP Muller, A Warshel
The Journal of Physical Chemistry 99 (49), 17516-17524, 1995
2071995
Mechanism for unimolecular decomposition of HMX (1, 3, 5, 7-tetranitro-1, 3, 5, 7-tetrazocine), an ab initio study
D Chakraborty, RP Muller, S Dasgupta, WA Goddard
The Journal of Physical Chemistry A 105 (8), 1302-1314, 2001
2052001
The gas phase reaction of singlet dioxygen with water: A water-catalyzed mechanism
X Xu, RP Muller, WA Goddard III
Proceedings of the National Academy of Sciences 99 (6), 3376-3381, 2002
1572002
Ab initio frozen density functional calculations of proton transfer reactions in solution
T Wesolowski, RP Muller, A Warshel
The Journal of Physical Chemistry 100 (38), 15444-15449, 1996
1461996
Chemisorption of atomic oxygen on Pt (111) from DFT studies of Pt-clusters
T Jacob, RP Muller, WA Goddard
The Journal of Physical Chemistry B 107 (35), 9465-9476, 2003
1432003
Roucka, v
A Meurer, CP Smith, M Paprocki, O Certık, SB Kirpichev, M Rocklin, ...
Saboo, A, 2017
1422017
Mechanism of the Stoddart− Heath bistable Rotaxane molecular switch
WQ Deng, RP Muller, WA Goddard
Journal of the American Chemical Society 126 (42), 13562-13563, 2004
1072004
Mechanism of direct molecular oxygen insertion in a palladium (II)− hydride bond
JM Keith, RP Muller, RA Kemp, KI Goldberg, WA Goddard, J Oxgaard
Inorganic chemistry 45 (24), 9631-9633, 2006
1042006
Enhancement-mode double-top-gated metal-oxide-semiconductor nanostructures with tunable lateral geometry
EP Nordberg, GAT Eyck, HL Stalford, RP Muller, RW Young, K Eng, ...
Physical Review B—Condensed Matter and Materials Physics 80 (11), 115331, 2009
1022009
A detailed model for the decomposition of nitramines: RDX and HMX
D Chakraborty, RP Muller, S Dasgupta, WA Goddard
Journal of computer-aided materials design 8, 203-212, 2001
982001
A candidate LiBH4 for hydrogen storage: Crystal structures and reaction mechanisms of intermediate phases
JK Kang, SY Kim, YS Han, RP Muller, WA Goddard
Applied Physics Letters 87 (11), 2005
972005
Pseudospectral generalized valence‐bond calculations: Application to methylene, ethylene, and silylene
JM Langlois, RP Muller, TR Coley, WA Goddard III, MN Ringnalda, Y Won, ...
The Journal of Chemical Physics 92 (12), 7488-7497, 1990
851990
Computational insights on the challenges for polymerizing polar monomers
DM Philipp, RP Muller, WA Goddard, J Storer, M McAdon, M Mullins
Journal of the American Chemical Society 124 (34), 10198-10210, 2002
832002
Influence of overcharge and over-discharge on the impedance response of LiCoO2| C batteries
S Erol, ME Orazem, RP Muller
Journal of power sources 270, 92-100, 2014
822014
Nie można teraz wykonać tej operacji. Spróbuj ponownie później.
Prace 1–20